[diacetyloxy(phenyl)silyl] 2-methoxyacetate

C13H16O7Si — CID 67232627

IUPAC[diacetyloxy(phenyl)silyl] 2-methoxyacetate
SMILESCOCC(=O)O[Si](OC(C)=O)(OC(C)=O)c1ccccc1
InChIInChI=1S/C13H16O7Si/c1-10(14)18-21(19-11(2)15,20-13(16)9-17-3)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKeyYEBNHBSEHQSBOG-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.15
Rot. Bonds6

About [diacetyloxy(phenyl)silyl] 2-methoxyacetate

[diacetyloxy(phenyl)silyl] 2-methoxyacetate (PubChem CID 67232627) has the molecular formula C13H16O7Si and a molecular weight of 312.35 g/mol. Its IUPAC name is [diacetyloxy(phenyl)silyl] 2-methoxyacetate.

Molecular Properties

Compound Name[diacetyloxy(phenyl)silyl] 2-methoxyacetate
PubChem CID67232627
Molecular FormulaC13H16O7Si
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name[diacetyloxy(phenyl)silyl] 2-methoxyacetate
SMILESCOCC(=O)O[Si](OC(C)=O)(OC(C)=O)c1ccccc1
InChIInChI=1S/C13H16O7Si/c1-10(14)18-21(19-11(2)15,20-13(16)9-17-3)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKeyYEBNHBSEHQSBOG-UHFFFAOYSA-N
XLogP0.15
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[diacetyloxy(phenyl)silyl] 2-butoxyacetate
CID 163704252
[dimethoxy(phenyl)silyl] acetate
CID 66889787
[ethyl(diphenyl)silyl] acetate
CID 66773951
[acetyloxy-(aminomethyl)-phenylsilyl] acetate
CID 141215853
(methoxy-methyl-phenylsilyl) acetate
CID 122395154
ethyl acetate;trimethoxy(phenyl)silane
CID 175137156
tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane
CID 67882512
[[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate
CID 162512141
[2-[acetyloxy-(aminomethyl)-phenylsilyl]oxy-2-oxoethyl] but-2-enoate
CID 152719946
[acetyloxy-(3-aminopropyl)-phenylsilyl] acetate
CID 90098236
(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate
CID 20645227
(2-chlorophenyl) 2-methoxyacetate
CID 542147

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(phenyl)silyl] 2-methoxyacetate?
The IUPAC name of [diacetyloxy(phenyl)silyl] 2-methoxyacetate (CID 67232627) is [diacetyloxy(phenyl)silyl] 2-methoxyacetate.
What is the SMILES notation for [diacetyloxy(phenyl)silyl] 2-methoxyacetate?
The canonical SMILES for [diacetyloxy(phenyl)silyl] 2-methoxyacetate is COCC(=O)O[Si](OC(C)=O)(OC(C)=O)c1ccccc1.
What is the InChIKey of [diacetyloxy(phenyl)silyl] 2-methoxyacetate?
The InChIKey is YEBNHBSEHQSBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O7Si/c1-10(14)18-21(19-11(2)15,20-13(16)9-17-3)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3.
What are the key properties of [diacetyloxy(phenyl)silyl] 2-methoxyacetate?
[diacetyloxy(phenyl)silyl] 2-methoxyacetate has a molecular weight of 312.35 g/mol, XLogP of 0.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(phenyl)silyl] 2-methoxyacetate is sourced from PubChem (CID 67232627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).